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EC number: 206-922-1 | CAS number: 400-38-4
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Water solubility
Administrative data
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- From June 30th, 2016 to June 13rd, 2017
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 017
- Report date:
- 2017
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Deviations:
- yes
- Remarks:
- Due to the high hydrolysis rate, the EEC method A6 is adapted to avoid degradation of lsopropyl Trifluoroacetate into Trifluoroacetic acid (TFA) (without incubation time at 30°C and equilibration at the test temperature).
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- January 14th, 2016
- Type of method:
- flask method
Test material
- Reference substance name:
- Isopropyl trifluoroacetate
- EC Number:
- 206-922-1
- EC Name:
- Isopropyl trifluoroacetate
- Cas Number:
- 400-38-4
- Molecular formula:
- C5H7F3O2
- IUPAC Name:
- propan-2-yl 2,2,2-trifluoroacetate
- Test material form:
- liquid
- Details on test material:
- Name: Isopropyl trifluoroacetate
Constituent 1
Results and discussion
Water solubilityopen allclose all
- Key result
- Water solubility:
- 5.6 g/L
- Conc. based on:
- test mat.
- Temp.:
- 22 °C
- pH:
- 6.4
- Key result
- Water solubility:
- 7.2 g/L
- Conc. based on:
- test mat.
- Temp.:
- 22 °C
- pH:
- 4
- Key result
- Water solubility:
- 9.3 g/L
- Conc. based on:
- test mat.
- Temp.:
- 22 °C
- pH:
- 7
- Key result
- Water solubility:
- 7.5 g/L
- Conc. based on:
- test mat.
- Temp.:
- 22 °C
- pH:
- 9
Any other information on results incl. tables
Table 1: Results for pH 6.4 and 22°C
Solution reference |
Water solubility expressed as TFAiP content in water (g/L) |
B6195 02 01 16 |
5.68 |
B6195 02 01 17 |
5.19 |
B6195 02 01 18 |
5.25 |
B6195 02 01 19 |
5.61 |
B6195 02 01 20 |
6.32 |
Mean |
5.6 |
SD |
0.5 |
RSD |
8.9% |
Table 2: Results for pH 4 and 22°C
Solution reference |
Water solubility expressed as TFAiP content in water (g/L) |
B6195 02 02 16 |
7.88 |
B6195 02 02 17 |
6.84 |
B6195 02 02 18 |
6.93 |
B6195 02 02 19 |
7.85 |
B6195 02 02 20 |
6.35 |
Mean |
7.2 |
SD |
0.7 |
RSD |
9.7% |
Table 3: Results for pH 7 and 22°C
Solution reference |
Water solubility expressed as TFAiP content in water (g/L) |
B6195 02 03 16 |
9.85 |
B6195 02 03 17 |
9.00 |
B6195 02 03 18 |
9.34 |
B6195 02 03 19 |
9.14 |
B6195 02 03 20 |
8.95 |
Mean |
9.3 |
SD |
0.4 |
RSD |
4.3% |
Table 4: Results for pH 9 and 22°C
Solution reference |
Water solubility expressed as TFAiP content in water (g/L) |
B6195 02 04 16 |
8.00 |
B6195 02 04 17 |
6.60 |
B6195 02 04 18 |
7.45 |
B6195 02 04 19 |
7.78 |
B6195 02 04 20 |
7.74 |
Mean |
7.5 |
SD |
0.5 |
RSD |
6.7% |
Applicant's summary and conclusion
- Conclusions:
- The solubility in water of Isopropyl trifluoroacetate is:
5.6 g/L, pH 6.4 at 22°C
7.2 g/L, pH 4 at 22°C
9.3 g/L, pH 7 at 22°C
7.5 g/L, pH 9 at 22°C - Executive summary:
The determination of the water solubility of Isopropyl trifluoroacetate (TFAiP) was performed according EEC method A6 and OECD 105 (flask method adapted to the high hydrolysis rate of the test item). Isopropyl trifluoroacetate is quantified by gas chromatography Head-Space coupled to a Mass Spectrometric detector (GC-MS) following external standardisation.
The solubility in water of Isopropyl trifluoroacetate is:
Water solubility
expressed as TFAiP content in water
pH
Temperature
5.6 g/L
water pH 6.4
22°C
7.2 g/L
water pH 4
22°C
9.3 g/L
water pH 7
22°C
7.5 g/L
water pH 9
22°C
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